[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium

C12H12Cl2NO+ — CID 7425173

IUPAC[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
SMILESC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1
InChIKeyKVRNDHJOFNNVSM-UHFFFAOYSA-O
MW257.14 g/mol
LogP2.95
Rot. Bonds3

About [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium

[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium (PubChem CID 7425173) has the molecular formula C12H12Cl2NO+ and a molecular weight of 257.14 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
PubChem CID7425173
Molecular FormulaC12H12Cl2NO+
Molecular Weight257.14 g/mol
Exact Mass256.03
IUPAC Name[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium
SMILESC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1
InChIKeyKVRNDHJOFNNVSM-UHFFFAOYSA-O
XLogP2.95
TPSA29.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]azanium
CID 8622580
1-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]propan-2-ol
CID 4723653
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
(2S)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622629
(2R)-2-[[5-(3,5-dichlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 8622634
[5-(3-chlorophenyl)furan-2-yl]methyl-[(2R)-2-hydroxypropyl]azanium
CID 7380206
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723665
(1S)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-phenylethanamine
CID 8622609
1-(2-chlorophenyl)-N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 4723648
[5-(3-chlorophenyl)furan-2-yl]methyl-[(3S,5R)-3,5-dimethyl-1-adamantyl]azanium
CID 8622786
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332139
[5-(3-chlorophenyl)furan-2-yl]methyl-cyclopentylazanium
CID 8622800

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
The IUPAC name of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium (CID 7425173) is [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium.
What is the SMILES notation for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
The canonical SMILES for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium is C[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
The InChIKey is KVRNDHJOFNNVSM-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1.
What are the key properties of [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium?
[5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium has a molecular weight of 257.14 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)furan-2-yl]methyl-methylazanium is sourced from PubChem (CID 7425173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).